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1.Can I calculate the log K constants of "iron salts of acetate" using GWB and add them into the database ?

Sure- you can simply modify thermo.dat by opening it in a text editor such as Notepad and adding the log K values directly. I strongly recommend that you rename the database before you begin editing it.

3.How can I get the data of FeOOH species and add them into thermo.dat ?

There is an entry for Goethite (FeOOH) mineral in thermo.dat. To find thermodynamic data for species and minerals not in the database, you will need to search the literature. Sometimes a user will respond if you post a request for data in this forum, but more often than not, you will need to look for this information yourself.

I hope that helps,

Tom Meuzelaar

RockWare, Inc.

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I try to modify thermo.dat ,but it doesn't work ,I still can't see the "iron salts of acetate" at higher temperature such as 45 or 65 degree C. Please tell me how to modify the thermo.dat if I want to add the data of "iron salts of acetate" at 45 or 65 degree C just using the data of which at 25 degree C

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I try to modify thermo.dat ,but it doesn't work ,I still can't see the "iron salts of acetate" at higher temperature such as 45 or 65 degree C. Please tell me how to modify the thermo.dat if I want to add the data of "iron salts of acetate" at 45 or 65 degree C just using the data of which at 25 degree C

Hello:

You can either add the same log K value for the higher temperatures in thermo.dat, or you can turn on the Extrapolate variable in the Config menu in SpecE8. In the latter case, you are not actually modifying the database- the software simply extrapolates the log K value to a temperature range outside that specified by your data in the database.